- InChI
- InChI=1S/C12H23BrO3/c1-11(7-9-15-2)10-16-12(14)6-4-3-5-8-13/h11H,3-10H2,1-2H3
- InChI Key
- LBLFFASVIXSIPD-UHFFFAOYSA-N
- Formula
- C12H23BrO3
- SMILES
- COCCC(C)COC(=O)CCCCCBr
- Molecular Weight1
- 295.21
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -276.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -646.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.92 | kJ/mol | Joback Calculated Property |
| log10WS | -2.99 | Crippen Calculated Property | |
| logPoct/wat | 3.158 | Crippen Calculated Property | |
| McVol | 210.750 | ml/mol | McGowan Calculated Property |
| Pc | 1950.95 | kPa | Joback Calculated Property |
| Inp | 1857.00 | NIST | |
| Tboil | 638.39 | K | Joback Calculated Property |
| Tc | 822.58 | K | Joback Calculated Property |
| Tfus | 364.19 | K | Joback Calculated Property |
| Vc | 0.805 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [540.11; 619.72] | J/mol×K | [638.39; 822.58] | 
|
| Cp,gas | 540.11 | J/mol×K | 638.39 | Joback Calculated Property |
| Cp,gas | 555.09 | J/mol×K | 669.09 | Joback Calculated Property |
| Cp,gas | 569.38 | J/mol×K | 699.79 | Joback Calculated Property |
| Cp,gas | 582.97 | J/mol×K | 730.48 | Joback Calculated Property |
| Cp,gas | 595.89 | J/mol×K | 761.18 | Joback Calculated Property |
| Cp,gas | 608.14 | J/mol×K | 791.88 | Joback Calculated Property |
| Cp,gas | 619.72 | J/mol×K | 822.58 | Joback Calculated Property |
| η | [0.0001250; 0.0017819] | Pa×s | [364.19; 638.39] |
|
| η | 0.0017819 | Pa×s | 364.19 | Joback Calculated Property |
| η | 0.0008939 | Pa×s | 409.89 | Joback Calculated Property |
| η | 0.0005150 | Pa×s | 455.59 | Joback Calculated Property |
| η | 0.0003281 | Pa×s | 501.29 | Joback Calculated Property |
| η | 0.0002254 | Pa×s | 546.99 | Joback Calculated Property |
| η | 0.0001640 | Pa×s | 592.69 | Joback Calculated Property |
| η | 0.0001250 | Pa×s | 638.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, 4-methoxy-2-methylbutyl ester.
Sources
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